N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine

C56H38N2 — CID 167195242

IUPACN-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)c5cccc6ccccc56)c4)cccc32)cc1
InChIInChI=1S/C56H38N2/c1-2-19-45(20-3-1)58-54-27-9-8-24-52(54)56-51(26-13-29-55(56)58)44-18-10-21-47(38-44)57(53-28-12-17-42-15-5-7-23-50(42)53)46-36-34-40(35-37-46)39-30-32-43(33-31-39)49-25-11-16-41-14-4-6-22-48(41)49/h1-38H
InChIKeyKPBGVUINYGJIBT-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.56
Rot. Bonds7

About N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine

N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine (PubChem CID 167195242) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
PubChem CID167195242
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC NameN-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)c5cccc6ccccc56)c4)cccc32)cc1
InChIInChI=1S/C56H38N2/c1-2-19-45(20-3-1)58-54-27-9-8-24-52(54)56-51(26-13-29-55(56)58)44-18-10-21-47(38-44)57(53-28-12-17-42-15-5-7-23-50(42)53)46-36-34-40(35-37-46)39-30-32-43(33-31-39)49-25-11-16-41-14-4-6-22-48(41)49/h1-38H
InChIKeyKPBGVUINYGJIBT-UHFFFAOYSA-N
XLogP15.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659786
N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 164832079
N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196149
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009927
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010104
N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 167195026
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660112
N-(4-naphthalen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010023
3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166660074
3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 166660501

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine (CID 167195242) is N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine is c1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)c5cccc6ccccc56)c4)cccc32)cc1.
What is the InChIKey of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine?
The InChIKey is KPBGVUINYGJIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-2-19-45(20-3-1)58-54-27-9-8-24-52(54)56-51(26-13-29-55(56)58)44-18-10-21-47(38-44)57(53-28-12-17-42-15-5-7-23-50(42)53)46-36-34-40(35-37-46)39-30-32-43(33-31-39)49-25-11-16-41-14-4-6-22-48(41)49/h1-38H.
What are the key properties of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine?
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine has a molecular weight of 738.93 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 167195242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).